Difference between revisions of "Testset Objectives"

Latest revision as of 19:24, 8 March 2024

Developer To Do:

(12/16/2022 2:11P)1AGW clean receptor mol2 file contains missing amino acids that is near the crystallized ligand. In the raw pdb file, there are two mirrored structures and the none-selected structure contains a more complete protein that would be more beneficial to this specific protein system. We must figure out why the incomplete structure is chosen over the more complete, then change the clean receptor mol2 into to the more complete structure.

(12/19/2022 3:08P)1L7F Check ligand guanidino bond orders and atom typings for this and similar Neuraminidase systems.

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 Developer To Do:
-# (12/16/2022 2:11P)'''1AGW''' clean receptor mol2 file contains a missing amino acids that is near the crystallized ligand. In the raw pdb file, there are two mirrored structures and the none-selected structure contains a more complete protein that would be more beneficial to this specific protein system. We must figure out why the incomplete structure is chosen over the more complete, then change the clean receptor mol2 into to the more complete structure.
+# (12/16/2022 2:11P)'''1AGW''' clean receptor mol2 file contains missing amino acids that is near the crystallized ligand. In the raw pdb file, there are two mirrored structures and the none-selected structure contains a more complete protein that would be more beneficial to this specific protein system. We must figure out why the incomplete structure is chosen over the more complete, then change the clean receptor mol2 into to the more complete structure.
+# (12/19/2022 3:08P)'''1L7F''' Check ligand guanidino bond orders and atom typings for this and similar Neuraminidase systems.